Geometry & MOs

Info

ID:	303356
PubChem CID:	124489560
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	5.54
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N(C)[C@@H]2CCNC2)C)OC

DOS

IR

Vibrations